{"id":"https://openalex.org/W7225791633","doi":"https://doi.org/10.1021/jacs.6c12735","title":"Magneto-Optical Studies on the Orbital Angular Momenta and Spin\u2013Orbit Coupling in the Excited Triplet States of Octahedral Mo6 Clusters: Magnetic Circular Dichroism and Magnetic Circularly Polarized Luminescence","display_name":"Magneto-Optical Studies on the Orbital Angular Momenta and Spin\u2013Orbit Coupling in the Excited Triplet States of Octahedral Mo6 Clusters: Magnetic Circular Dichroism and Magnetic Circularly Polarized Luminescence","publication_year":2026,"publication_date":"2026-11-11","ids":{"openalex":"https://openalex.org/W7225791633","doi":"https://doi.org/10.1021/jacs.6c12735"},"language":"en","primary_location":{"id":"doi:10.1021/jacs.6c12735","doi":"https://doi.org/10.1021/jacs.6c12735","is_oa":false,"landing_page_url":"https://doi.org/10.1021/jacs.6c12735","pdf_url":null,"source":{"id":"https://openalex.org/S111155417","display_name":"Journal of the American Chemical Society","issn_l":"0002-7863","issn":["0002-7863","1520-5126","1943-2984"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-a","jufo-3","ki-jl-3","medline","norway-2","poland-200","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of the American Chemical Society","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5035265794","display_name":"Hirohisa Yanagikawa","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I74801974","display_name":"The University of Tokyo","ror":"https://ror.org/057zh3y96","country_code":"JP","type":"education","lineage":["https://openalex.org/I74801974"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Hirohisa Yanagikawa","raw_affiliation_strings":["The University of Tokyo , , 4-6-1 Komaba , Meguro-ku, ,"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"The University of Tokyo , , 4-6-1 Komaba , Meguro-ku, ,","institution_ids":["https://openalex.org/I74801974"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5081742712","display_name":"Toranosuke Tomikawa","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I205349734","display_name":"Hokkaido University","ror":"https://ror.org/02e16g702","country_code":"JP","type":"education","lineage":["https://openalex.org/I205349734"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Toranosuke Tomikawa","raw_affiliation_strings":["Hokkaido University , , , ,"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Hokkaido University , , , ,","institution_ids":["https://openalex.org/I205349734"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5029676343","display_name":"Yuichi Kitagawa","orcid":"https://orcid.org/0000-0003-1487-2531","observed_orcids":["https://orcid.org/0000-0003-1487-2531","https://orcid.org/0009-0007-7992-233X"]},"institutions":[{"id":"https://openalex.org/I205349734","display_name":"Hokkaido University","ror":"https://ror.org/02e16g702","country_code":"JP","type":"education","lineage":["https://openalex.org/I205349734"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Yuichi Kitagawa","raw_affiliation_strings":["Hokkaido University , , Kita 13, Nishi 8 , Kita-ku, , ,"],"raw_orcid":"https://orcid.org/0000-0003-1487-2531","affiliations":[{"raw_affiliation_string":"Hokkaido University , , Kita 13, Nishi 8 , Kita-ku, , ,","institution_ids":["https://openalex.org/I205349734"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5031507015","display_name":"Yasuchika Hasegawa","orcid":"https://orcid.org/0000-0002-6622-8011","observed_orcids":["https://orcid.org/0000-0002-6622-8011"]},"institutions":[{"id":"https://openalex.org/I205349734","display_name":"Hokkaido University","ror":"https://ror.org/02e16g702","country_code":"JP","type":"education","lineage":["https://openalex.org/I205349734"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Yasuchika Hasegawa","raw_affiliation_strings":["Hokkaido University , , Kita 13, Nishi 8 , Kita-ku, , ,"],"raw_orcid":"https://orcid.org/0000-0002-6622-8011","affiliations":[{"raw_affiliation_string":"Hokkaido University , , Kita 13, Nishi 8 , Kita-ku, , ,","institution_ids":["https://openalex.org/I205349734"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5042993150","display_name":"Kaplan Kirakci","orcid":"https://orcid.org/0000-0002-1068-5133","observed_orcids":["https://orcid.org/0000-0002-1068-5133"]},"institutions":[{"id":"https://openalex.org/I202391551","display_name":"Czech Academy of Sciences","ror":"https://ror.org/053avzc18","country_code":"CZ","type":"government","lineage":["https://openalex.org/I202391551"]}],"countries":["CZ"],"is_corresponding":false,"raw_author_name":"Kaplan Kirakci","raw_affiliation_strings":["Czech Academy of Sciences , , R\u030cez\u030c 1001 , ,"],"raw_orcid":"https://orcid.org/0000-0002-1068-5133","affiliations":[{"raw_affiliation_string":"Czech Academy of Sciences , , R\u030cez\u030c 1001 , ,","institution_ids":["https://openalex.org/I202391551"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5043506239","display_name":"Kamil Lang","orcid":"https://orcid.org/0000-0002-4151-8805","observed_orcids":["https://orcid.org/0000-0002-4151-8805"]},"institutions":[{"id":"https://openalex.org/I202391551","display_name":"Czech Academy of Sciences","ror":"https://ror.org/053avzc18","country_code":"CZ","type":"government","lineage":["https://openalex.org/I202391551"]}],"countries":["CZ"],"is_corresponding":true,"raw_author_name":"Kamil Lang","raw_affiliation_strings":["Czech Academy of Sciences , , R\u030cez\u030c 1001 , ,"],"raw_orcid":"https://orcid.org/0000-0002-4151-8805","affiliations":[{"raw_affiliation_string":"Czech Academy of Sciences , , R\u030cez\u030c 1001 , ,","institution_ids":["https://openalex.org/I202391551"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5082258485","display_name":"Kazuyuki Ishii","orcid":"https://orcid.org/0000-0002-8676-1008","observed_orcids":["https://orcid.org/0000-0002-8676-1008"]},"institutions":[{"id":"https://openalex.org/I74801974","display_name":"The University of Tokyo","ror":"https://ror.org/057zh3y96","country_code":"JP","type":"education","lineage":["https://openalex.org/I74801974"]}],"countries":["JP"],"is_corresponding":true,"raw_author_name":"Kazuyuki Ishii","raw_affiliation_strings":["The University of Tokyo , , 4-6-1 Komaba , Meguro-ku, ,"],"raw_orcid":"https://orcid.org/0000-0002-8676-1008","affiliations":[{"raw_affiliation_string":"The University of Tokyo , , 4-6-1 Komaba , Meguro-ku, ,","institution_ids":["https://openalex.org/I74801974"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5043506239","https://openalex.org/A5082258485"],"corresponding_institution_ids":["https://openalex.org/I202391551","https://openalex.org/I74801974"],"apc_list":{"value":4500,"currency":"USD","value_usd":4500},"apc_paid":null,"fwci":0.0,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":{"value":0.0,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T12557","display_name":"Inorganic Chemistry and Materials","score":0.3402999937534332,"subfield":{"id":"https://openalex.org/subfields/1604","display_name":"Inorganic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T12557","display_name":"Inorganic Chemistry and Materials","score":0.3402999937534332,"subfield":{"id":"https://openalex.org/subfields/1604","display_name":"Inorganic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10612","display_name":"Magnetism in coordination complexes","score":0.30979999899864197,"subfield":{"id":"https://openalex.org/subfields/2504","display_name":"Electronic, Optical and Magnetic Materials"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T12748","display_name":"Molecular spectroscopy and chirality","score":0.1492999941110611,"subfield":{"id":"https://openalex.org/subfields/1607","display_name":"Spectroscopy"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[],"concepts":[{"id":"https://openalex.org/C68563686","wikidata":"https://www.wikidata.org/wiki/Q6731531","display_name":"Magnetic circular dichroism","level":3,"score":0.8733999729156494},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.803600013256073},{"id":"https://openalex.org/C181500209","wikidata":"https://www.wikidata.org/wiki/Q215328","display_name":"Excited state","level":2,"score":0.7645999789237976},{"id":"https://openalex.org/C25227350","wikidata":"https://www.wikidata.org/wiki/Q201805","display_name":"Zeeman effect","level":3,"score":0.6638000011444092},{"id":"https://openalex.org/C104939040","wikidata":"https://www.wikidata.org/wiki/Q750475","display_name":"X-ray magnetic circular dichroism","level":4,"score":0.5895000100135803},{"id":"https://openalex.org/C155675718","wikidata":"https://www.wikidata.org/wiki/Q161254","display_name":"Angular momentum","level":2,"score":0.5631999969482422},{"id":"https://openalex.org/C189394030","wikidata":"https://www.wikidata.org/wiki/Q53860","display_name":"Atomic orbital","level":3,"score":0.5364000201225281},{"id":"https://openalex.org/C148869448","wikidata":"https://www.wikidata.org/wiki/Q184240","display_name":"Luminescence","level":2,"score":0.49950000643730164},{"id":"https://openalex.org/C184779094","wikidata":"https://www.wikidata.org/wiki/Q26383","display_name":"Atomic physics","level":1,"score":0.48330000042915344},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.4675000011920929},{"id":"https://openalex.org/C41999313","wikidata":"https://www.wikidata.org/wiki/Q489328","display_name":"Molecular physics","level":1,"score":0.40630000829696655},{"id":"https://openalex.org/C139358910","wikidata":"https://www.wikidata.org/wiki/Q725417","display_name":"Molecular orbital","level":3,"score":0.40380001068115234},{"id":"https://openalex.org/C69523127","wikidata":"https://www.wikidata.org/wiki/Q4480008","display_name":"Ground state","level":2,"score":0.39899998903274536},{"id":"https://openalex.org/C164866538","wikidata":"https://www.wikidata.org/wiki/Q367351","display_name":"Cluster (spacecraft)","level":2,"score":0.3926999866962433},{"id":"https://openalex.org/C133571119","wikidata":"https://www.wikidata.org/wiki/Q899102","display_name":"Circular dichroism","level":2,"score":0.38580000400543213},{"id":"https://openalex.org/C153201621","wikidata":"https://www.wikidata.org/wiki/Q5121676","display_name":"Circular polarization","level":3,"score":0.38040000200271606},{"id":"https://openalex.org/C189010761","wikidata":"https://www.wikidata.org/wiki/Q7924663","display_name":"Vibrational circular dichroism","level":3,"score":0.3481999933719635},{"id":"https://openalex.org/C177872590","wikidata":"https://www.wikidata.org/wiki/Q1498289","display_name":"Inductive coupling","level":2,"score":0.34700000286102295},{"id":"https://openalex.org/C76766466","wikidata":"https://www.wikidata.org/wiki/Q3036629","display_name":"Triplet state","level":3,"score":0.3345000147819519},{"id":"https://openalex.org/C131584629","wikidata":"https://www.wikidata.org/wiki/Q4308705","display_name":"Coupling (piping)","level":2,"score":0.32760000228881836},{"id":"https://openalex.org/C20853536","wikidata":"https://www.wikidata.org/wiki/Q4120992","display_name":"Time-dependent density functional theory","level":3,"score":0.3262999951839447},{"id":"https://openalex.org/C198819137","wikidata":"https://www.wikidata.org/wiki/Q188884","display_name":"Octahedron","level":3,"score":0.29409998655319214},{"id":"https://openalex.org/C45193367","wikidata":"https://www.wikidata.org/wiki/Q1141095","display_name":"Total angular momentum quantum number","level":3,"score":0.29319998621940613},{"id":"https://openalex.org/C20782240","wikidata":"https://www.wikidata.org/wiki/Q3272968","display_name":"Angular momentum coupling","level":4,"score":0.28380000591278076},{"id":"https://openalex.org/C181817918","wikidata":"https://www.wikidata.org/wiki/Q192275","display_name":"Phosphorescence","level":3,"score":0.2831999957561493},{"id":"https://openalex.org/C105600476","wikidata":"https://www.wikidata.org/wiki/Q1195643","display_name":"Dichroism","level":2,"score":0.2799000144004822},{"id":"https://openalex.org/C125287762","wikidata":"https://www.wikidata.org/wiki/Q1758948","display_name":"Absorption (acoustics)","level":2,"score":0.2696000039577484},{"id":"https://openalex.org/C125020911","wikidata":"https://www.wikidata.org/wiki/Q1570979","display_name":"Spin\u2013orbit interaction","level":2,"score":0.26899999380111694},{"id":"https://openalex.org/C19329426","wikidata":"https://www.wikidata.org/wiki/Q3537671","display_name":"Atomic electron transition","level":3,"score":0.26669999957084656},{"id":"https://openalex.org/C207230154","wikidata":"https://www.wikidata.org/wiki/Q848501","display_name":"Faraday effect","level":3,"score":0.26460000872612},{"id":"https://openalex.org/C21074235","wikidata":"https://www.wikidata.org/wiki/Q3537681","display_name":"Molecular electronic transition","level":3,"score":0.2615000009536743},{"id":"https://openalex.org/C119824511","wikidata":"https://www.wikidata.org/wiki/Q13553575","display_name":"Absorption spectroscopy","level":2,"score":0.25679999589920044},{"id":"https://openalex.org/C54553102","wikidata":"https://www.wikidata.org/wiki/Q242657","display_name":"Magnetic moment","level":2,"score":0.25369998812675476}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1021/jacs.6c12735","doi":"https://doi.org/10.1021/jacs.6c12735","is_oa":false,"landing_page_url":"https://doi.org/10.1021/jacs.6c12735","pdf_url":null,"source":{"id":"https://openalex.org/S111155417","display_name":"Journal of the American Chemical Society","issn_l":"0002-7863","issn":["0002-7863","1520-5126","1943-2984"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-a","jufo-3","ki-jl-3","medline","norway-2","poland-200","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of the American Chemical Society","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":73,"referenced_works":["https://openalex.org/W192689805","https://openalex.org/W1512388082","https://openalex.org/W1555450157","https://openalex.org/W1649689237","https://openalex.org/W1654112654","https://openalex.org/W1795281546","https://openalex.org/W1963757625","https://openalex.org/W1970734690","https://openalex.org/W1976988854","https://openalex.org/W1978343952","https://openalex.org/W1981752998","https://openalex.org/W1993069257","https://openalex.org/W1993779520","https://openalex.org/W1996674167","https://openalex.org/W2002243837","https://openalex.org/W2003690668","https://openalex.org/W2012086002","https://openalex.org/W2019538654","https://openalex.org/W2031426491","https://openalex.org/W2035396784","https://openalex.org/W2045709500","https://openalex.org/W2046592921","https://openalex.org/W2054273170","https://openalex.org/W2056967289","https://openalex.org/W2065052499","https://openalex.org/W2082101142","https://openalex.org/W2095028070","https://openalex.org/W2103437347","https://openalex.org/W2108299472","https://openalex.org/W2116472408","https://openalex.org/W2144895555","https://openalex.org/W2167293173","https://openalex.org/W2323968751","https://openalex.org/W2343601443","https://openalex.org/W2467417377","https://openalex.org/W2473537852","https://openalex.org/W2489558986","https://openalex.org/W2515603878","https://openalex.org/W2517220684","https://openalex.org/W2548664904","https://openalex.org/W2604545875","https://openalex.org/W2739461687","https://openalex.org/W2787542105","https://openalex.org/W2795518398","https://openalex.org/W2850871673","https://openalex.org/W2890260902","https://openalex.org/W2898091910","https://openalex.org/W2909223794","https://openalex.org/W2913583762","https://openalex.org/W2994582083","https://openalex.org/W3005520596","https://openalex.org/W3008165269","https://openalex.org/W3014641996","https://openalex.org/W3022710844","https://openalex.org/W3033366316","https://openalex.org/W3080921122","https://openalex.org/W3088182718","https://openalex.org/W3121973823","https://openalex.org/W3122106169","https://openalex.org/W3153456181","https://openalex.org/W3182421822","https://openalex.org/W3193560036","https://openalex.org/W4210442641","https://openalex.org/W4317937953","https://openalex.org/W4318021305","https://openalex.org/W4319455066","https://openalex.org/W4380049934","https://openalex.org/W4391846165","https://openalex.org/W4399258769","https://openalex.org/W4401333956","https://openalex.org/W4403044421","https://openalex.org/W4406370499","https://openalex.org/W4414875816"],"related_works":[],"abstract_inverted_index":{"Abstract":[0],"The":[1],"magneto-optical":[2],"properties\u2500magnetic":[3],"circular":[4],"dichroism":[5],"(MCD)":[6],"and":[7,19,24,60,170,184,191,207,215,238],"magnetic":[8],"circularly":[9],"polarized":[10],"luminescence":[11],"(MCPL)\u2500of":[12],"octahedral":[13],"hexanuclear":[14],"[Mo6I8Y6]2\u2013":[15],"clusters":[16,117,146],"(1,":[17],"2,":[18],"3,":[20],"possessing":[21],"OPOPh2,":[22],"N3,":[23],"CF3COO":[25],"as":[26],"the":[27,44,55,64,79,97,104,109,162,175,182,185,189,196,204,210,216,225],"terminal":[28],"Y":[29],"ligands,":[30],"respectively)":[31],"were":[32,49,85,137,178],"studied.":[33],"In":[34,68,120],"their":[35,69,121],"MCD":[36,171,176],"spectra,":[37,123],"negative":[38],"Faraday":[39,74],"A":[40,75],"terms":[41,76],"corresponding":[42,77],"to":[43,78,91],"S0":[45,81,111],"\u2192":[46,82,112],"Sn":[47],"transitions":[48,84],"observed":[50,86,138],"at":[51,87,134,139],"\u223c400":[52],"nm,":[53,141],"reflecting":[54],"orbital":[56],"angular":[57,193],"momentum":[58,194],"(OAM)":[59],"high":[61],"symmetry":[62],"of":[63,99,108,188,209,218,229],"molecular":[65],"orbitals":[66],"(MOs).":[67],"highly":[70],"concentrated":[71],"solutions,":[72],"positive":[73],"spin-forbidden":[80,110],"Tn":[83,113],"\u223c600":[88],"nm":[89],"due":[90],"large":[92,226],"spin\u2013orbit":[93],"coupling":[94],"(SOC).":[95],"To":[96],"best":[98],"our":[100],"knowledge,":[101],"this":[102],"is":[103],"first":[105],"direct":[106],"observation":[107],"transition":[114],"in":[115,195],"metal":[116,240],"by":[118,180],"MCD.":[119],"MCPL":[122,127],"negative,":[124],"strong":[125],"phosphorescent":[126],"signals":[128,177],"(g":[129],"\u2248":[130],"1.0":[131],"\u00d7":[132],"10\u20132":[133],"1.6":[135],"T)":[136],"\u223c690":[140],"indicating":[142],"that":[143],"these":[144],"Mo":[145],"are":[147],"promising":[148],"candidates":[149],"for":[150,161,236],"novel":[151],"CPL":[152],"materials.":[153],"Time-dependent":[154],"density":[155],"functional":[156],"theory":[157],"(TD-DFT)":[158],"calculations":[159,202],"performed":[160],"model":[163],"cluster":[164],"[Mo6I8Cl6]2\u2013":[165,214],"could":[166],"reproduce":[167],"UV\u2013vis":[168],"absorption":[169],"spectroscopic":[172],"properties.":[173],"Especially,":[174],"evaluated":[179],"analyzing":[181],"SOC":[183],"Zeeman":[186],"effects":[187],"OAM":[190],"spin":[192],"excited":[197,212],"triplet":[198,213],"state.":[199],"TD-DFT":[200],"gradient":[201],"indicated":[203],"geometrical":[205],"distortion":[206],"stabilization":[208],"lowest":[211],"destabilization":[217],"its":[219],"Franck\u2013Condon":[220],"ground":[221],"state,":[222],"which":[223],"explain":[224],"red":[227],"shift":[228],"phosphorescence.":[230],"These":[231],"results":[232],"open":[233],"new":[234],"possibilities":[235],"understanding":[237],"functionalizing":[239],"clusters.":[241]},"counts_by_year":[],"updated_date":"2026-11-12T12:28:57.059296","created_date":"2026-11-12T00:00:00"}
